CID 5377942

Quinaldine red

Structural Information

Molecular Formula
C21H23N2
SMILES
CC[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C21H23N2/c1-4-23-20(16-12-18-7-5-6-8-21(18)23)15-11-17-9-13-19(14-10-17)22(2)3/h5-16H,4H2,1-3H3/q+1
InChIKey
DUIOFNIINCIKNR-UHFFFAOYSA-N
Compound name
4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

2140
Patents

303.18613 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.19341 177.6
[M+Na]+ 326.17535 184.6
[M-H]- 302.17885 185.0
[M+NH4]+ 321.21995 192.4
[M+K]+ 342.14929 173.4
[M+H-H2O]+ 286.18339 170.4
[M+HCOO]- 348.18433 199.2
[M+CH3COO]- 362.19998 206.7
[M+Na-2H]- 324.16080 184.5
[M]+ 303.18558 177.9
[M]- 303.18668 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe